Isonipecotic acid

Modify Date: 2025-08-22 10:41:15

Isonipecotic acid structure	Common Name	Isonipecotic acid
	CAS Number	498-94-2	Molecular Weight	129.157
	Density	1.1±0.1 g/cm3	Boiling Point	265.8±33.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₁NO₂	Melting Point	>300 °C(lit.)
	MSDS	Chinese USA	Flash Point	114.5±25.4 °C
	Symbol	GHS07	Signal Word	Warning

Use of Isonipecotic acid

Isonipecotic acid is a GABAA receptor partial agonist[1].

Name	Isonipecotic acid
Synonym	More Synonyms

Description	Isonipecotic acid is a GABAA receptor partial agonist[1].
Related Catalog	Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor Research Areas >> Neurological Disease Signaling Pathways >> Neuronal Signaling >> GABA Receptor
Target	GABAA Receptor[1]
In Vitro	Isonipecotic acid inhibits [3H]GABA binding (2°C) with an IC50 of 0.33 μM[2].
References	[1]. Krehan D, et al. Phosphinic, phosphonic and seleninic acid bioisosteres of isonipecotic acid as novel and selective GABA(C) receptor antagonists. Neurochem Int. 2003 Jun;42(7):561-5. [2]. Falch E, et al. GABA-mimetic activity and effects on diazepam binding of aminosulphonic acids structurally related to piperidine-4-sulphonic acid. J Neurochem. 1985 Jan;44(1):68-75.

Density	1.1±0.1 g/cm3
Boiling Point	265.8±33.0 °C at 760 mmHg
Melting Point	>300 °C(lit.)
Molecular Formula	C₆H₁₁NO₂
Molecular Weight	129.157
Flash Point	114.5±25.4 °C
Exact Mass	129.078979
PSA	49.33000
LogP	-0.08
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.479
InChIKey	SRJOCJYGOFTFLH-UHFFFAOYSA-N
SMILES	O=C(O)C1CCNCC1
Storage condition	Store at 0-5°C
Water Solubility	soluble

Isonipecotic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NS5150000

CHEMICAL NAME :: Isonipecotic acid

CAS REGISTRY NUMBER :: 498-94-2

BEILSTEIN REFERENCE NO. :: 0112553

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H11-N-O2

MOLECULAR WEIGHT :: 129.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 23,1343,1968

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	NS5150000
HS Code	2942000000

Precursor 10
CAS#:13602-12-5 Pyridine-4-Carb... CAS#:55-22-1 Isonicotinic acid CAS#:3731-38-2 3-QUINUCLIDINONE CAS#:10314-98-4 N-Cbz-4-Piperid...
CAS#:857778-39-3 4-bromo-2-(2-br... CAS#:110-89-4 Piperidine CAS#:64-18-6 Formic Acid CAS#:6238-69-3 NITROSOISONIPEC...
CAS#:1219594-56-5 1-[bis(dimethyl... CAS#:5398-44-7 2,6-Dichloroiso...
DownStream 10
CAS#:101264-48-6 N-BENZYLPIPERID... CAS#:71985-80-3 1-METHYLPIPERID... CAS#:50675-21-3 1-Methylpiperid... CAS#:5274-99-7 1-Benzoyl-4-pip...
CAS#:55745-83-0 2-piperazin-1-y... CAS#:30818-11-2 1-(PIPERIDIN-4-... CAS#:55695-51-7 (4-chlorophenyl... CAS#:92822-02-1 4-(4-Fluorobenz...
CAS#:51784-73-7 2-(Piperidin-4-... CAS#:51784-03-3 2-piperidin-4-y...

HS Code	2933399090
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Chemical genetics reveals a complex functional ground state of neural stem cells.

Nat. Chem. Biol. 3(5) , 268-273, (2007)

The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc...

Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Nat. Chem. Biol. 5 , 765-71, (2009)

Studies of gene function and molecular mechanisms in Plasmodium falciparum are hampered by difficulties in characterizing and measuring phenotypic differences between individual parasites. We screened...

Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1).

Bioorg. Med. Chem. 19 , 6409-18, (2011)

The proton-coupled amino acid transporter hPAT1 has recently gained much interest due to its ability to transport small drugs thereby allowing their oral administration. A three-dimensional quantitati...

Name: qHTS to identify inhibitors of the New Delhi Metallo-beta-lactamase (NDM): assay vali...
Source: NCGC
External Id: adst_MBL_Abs_LOPAC_o1

Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist

Name: Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Maximal response relative to Gamma-aminobutyric acid A against human Gamma-aminobutyr...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-2
External Id: CHEMBL683016

Name: qHTS Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2...
Source: NCGC
Target: ubiquitin carboxyl-terminal hydrolase 2 isoform a [Homo sapiens]
External Id: UBCH001

Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315

Name: Change in input resistance of cultured spinal cord neurons produced at a dose 1 mM
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL843331

Name: Change in input resistance of cultured spinal cord neurons produced at a dose 1 mM+10...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL823066

Name: Change in input resistance of cultured spinal cord neurons produced at a dose 100 uM+...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL840963

Total 121, Current Page 1 of 13

Isonipecotic acid

4-Hexahydroisonicotinic acid

Piperidine-4-carboxylic acid

UNII-M5TZP1RWIE

4-Piperidinecarboxylic acid

Hexahydroisonicotinic acid

EINECS 207-872-3

MFCD00006004

Isonipecoticacid

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